[5-(2-methoxybenzoyl)oxynaphthalen-1-yl] 2-methoxybenzoate

C26H20O6 — CID 11841339

IUPAC[5-(2-methoxybenzoyl)oxynaphthalen-1-yl] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)Oc1cccc2c(OC(=O)c3ccccc3OC)cccc12
InChIInChI=1S/C26H20O6/c1-29-21-13-5-3-9-19(21)25(27)31-23-15-7-12-18-17(23)11-8-16-24(18)32-26(28)20-10-4-6-14-22(20)30-2/h3-16H,1-2H3
InChIKeyGYWUWMCNOMYRLT-UHFFFAOYSA-N
MW428.44 g/mol
LogP5.30
Rot. Bonds6

About [5-(2-methoxybenzoyl)oxynaphthalen-1-yl] 2-methoxybenzoate

[5-(2-methoxybenzoyl)oxynaphthalen-1-yl] 2-methoxybenzoate (PubChem CID 11841339) has the molecular formula C26H20O6 and a molecular weight of 428.44 g/mol. Its IUPAC name is [5-(2-methoxybenzoyl)oxynaphthalen-1-yl] 2-methoxybenzoate.

Molecular Properties

Compound Name[5-(2-methoxybenzoyl)oxynaphthalen-1-yl] 2-methoxybenzoate
PubChem CID11841339
Molecular FormulaC26H20O6
Molecular Weight428.44 g/mol
Exact Mass428.13
IUPAC Name[5-(2-methoxybenzoyl)oxynaphthalen-1-yl] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)Oc1cccc2c(OC(=O)c3ccccc3OC)cccc12
InChIInChI=1S/C26H20O6/c1-29-21-13-5-3-9-19(21)25(27)31-23-15-7-12-18-17(23)11-8-16-24(18)32-26(28)20-10-4-6-14-22(20)30-2/h3-16H,1-2H3
InChIKeyGYWUWMCNOMYRLT-UHFFFAOYSA-N
XLogP5.30
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.44
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-fluorophenyl) 2-methoxybenzoate
CID 91714946
dinaphthalen-1-yl benzene-1,2-dicarboxylate
CID 14047654
2-O-(2,6-dimethoxyphenyl) 1-O-methyl benzene-1,2-dicarboxylate
CID 6424506
ethane;methyl 2-methoxybenzoate
CID 178037044
naphthalen-1-yl 2-propan-2-yloxybenzoate
CID 23013102
naphthalen-1-yl 2-hydroxybenzoate
CID 504536
(2,3-dimethoxyphenyl)-(2-methoxyphenyl)methanone
CID 67592746
(4-naphthalen-2-ylphenyl) 2-methoxybenzoate
CID 158131394
(4-benzoylphenyl) 2-methoxybenzoate
CID 1234638
[2-(3-oxo-3-phenylprop-1-enyl)phenyl] 2-methoxybenzoate
CID 5088439
(2-methoxyphenyl) 3-ethyl-2-methylbenzoate
CID 118039827
(2-methylphenyl) 2-methoxycarbonyloxybenzoate
CID 69024261

Frequently Asked Questions

What is the IUPAC name of [5-(2-methoxybenzoyl)oxynaphthalen-1-yl] 2-methoxybenzoate?
The IUPAC name of [5-(2-methoxybenzoyl)oxynaphthalen-1-yl] 2-methoxybenzoate (CID 11841339) is [5-(2-methoxybenzoyl)oxynaphthalen-1-yl] 2-methoxybenzoate.
What is the SMILES notation for [5-(2-methoxybenzoyl)oxynaphthalen-1-yl] 2-methoxybenzoate?
The canonical SMILES for [5-(2-methoxybenzoyl)oxynaphthalen-1-yl] 2-methoxybenzoate is COc1ccccc1C(=O)Oc1cccc2c(OC(=O)c3ccccc3OC)cccc12.
What is the InChIKey of [5-(2-methoxybenzoyl)oxynaphthalen-1-yl] 2-methoxybenzoate?
The InChIKey is GYWUWMCNOMYRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O6/c1-29-21-13-5-3-9-19(21)25(27)31-23-15-7-12-18-17(23)11-8-16-24(18)32-26(28)20-10-4-6-14-22(20)30-2/h3-16H,1-2H3.
What are the key properties of [5-(2-methoxybenzoyl)oxynaphthalen-1-yl] 2-methoxybenzoate?
[5-(2-methoxybenzoyl)oxynaphthalen-1-yl] 2-methoxybenzoate has a molecular weight of 428.44 g/mol, XLogP of 5.30, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methoxybenzoyl)oxynaphthalen-1-yl] 2-methoxybenzoate is sourced from PubChem (CID 11841339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).